2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol

C23H33NO — CID 10640840

IUPAC2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol
SMILESCN(C)c1ccccc1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO/c1-22(2,3)18-14-16(15-19(21(18)25)23(4,5)6)13-17-11-9-10-12-20(17)24(7)8/h9-12,14-15,25H,13H2,1-8H3
InChIKeyOSFPVXQZNNFOOB-UHFFFAOYSA-N
MW339.52 g/mol
LogP5.64
Rot. Bonds3

About 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol

2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol (PubChem CID 10640840) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol
PubChem CID10640840
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol
SMILESCN(C)c1ccccc1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C23H33NO/c1-22(2,3)18-14-16(15-19(21(18)25)23(4,5)6)13-17-11-9-10-12-20(17)24(7)8/h9-12,14-15,25H,13H2,1-8H3
InChIKeyOSFPVXQZNNFOOB-UHFFFAOYSA-N
XLogP5.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol (CID 10640840) is 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol is CN(C)c1ccccc1Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
The InChIKey is OSFPVXQZNNFOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-22(2,3)18-14-16(15-19(21(18)25)23(4,5)6)13-17-11-9-10-12-20(17)24(7)8/h9-12,14-15,25H,13H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol?
2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol has a molecular weight of 339.52 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol is sourced from PubChem (CID 10640840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).